Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1249590919-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 30 USD | 95 | 18 working days | Get Quote |
| 5 mg | 30 USD | 95 | 18 working days | Get Quote |
| 10 mg | 30 USD | 95 | 18 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-6953613389-0
- Component type: Main
-
1
MCULE-5726619687-2
- Component type: Counter Ion
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1249590919-0.sdf |
| SMILES | MCULE-1249590919-0.smiles |
| Standard InChI | MCULE-1249590919-0.inchi |
| InChIKey | MCULE-1249590919-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675507226 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-881188956 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-869193817 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-853423316 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-869246843 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-890849322 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-638227388 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-674896263 | Otava | In-House Stock Library | 90 | Main component | 44 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 512.437 |
| logP | 1.4053 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 2 |
| PSA | 185.23 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 114.687 |
| Atoms | 65 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 31 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 8 |
| R/S chiral centers | 6 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
